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Chemical ID: 7087328
Chemical ID:
7087328
Name [?]:
N-methyl-1-(4-phenylphenyl)-2-pyrrolidin-1-yl-ethanamine
SMILES [?]:
CNC(CN1CCCC1)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C19H24N2/c1-20-19(15-21-13-5-6-14-21)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-4,7-12,19-20H,5-6,13-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,7,8,17,21,12,14,11,15,6,9,4,16,13,10,3,2,5/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:21cCNCCNCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s3;s10;d11;s12;d13;d10s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2 |
All Atoms: | 45 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5291 |
Area: | 496.735 |
Solvation: | -1.88929 |
Coulombic: | -17.0721 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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